Basic information
- Standard SMILES
CC(C)C(C(=O)O)C(=O)NCc1cc(F)cc(F)c1- InChIKey
GMFUNQOVZVNTOD-UHFFFAOYSA-N- Molecular formula
- C13H15F2NO3
- Average molar mass
- 271.26 g/mol
Names & identifiers
- Preferred name
- N-(3,5-Difluoro-benzyl)-2-isopropyl-malonamic acid
- IUPAC
- 2-[(3,5-difluorophenyl)methylcarbamoyl]-3-methylbutanoic acid
Names & synonyms
SCHEMBL5017857GMFUNQOVZVNTOD-UHFFFAOYSA-NN-(3,5-Difluoro-benzyl)-2-isopropyl-malonamic acid
Database identifiers
- PubChem CID
- 69280641
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 326
Related reactions
7 records
Compound notes
Loading…